CID 72215699

1393567-29-7

Structural Information

Molecular Formula
C6H4BrNO3
SMILES
C1=C(C=C(NC1=O)Br)C(=O)O
InChI
InChI=1S/C6H4BrNO3/c7-4-1-3(6(10)11)2-5(9)8-4/h1-2H,(H,8,9)(H,10,11)
InChIKey
RDEJDMRLIBFJNY-UHFFFAOYSA-N
Compound name
2-bromo-6-oxo-1H-pyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.93745 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.94473 131.1
[M+Na]+ 239.92667 143.7
[M-H]- 215.93017 134.3
[M+NH4]+ 234.97127 150.7
[M+K]+ 255.90061 132.3
[M+H-H2O]+ 199.93471 131.4
[M+HCOO]- 261.93565 150.0
[M+CH3COO]- 275.95130 178.2
[M+Na-2H]- 237.91212 138.4
[M]+ 216.93690 148.3
[M]- 216.93800 148.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.